1-(cyclopropylmethyl)-7-[(2,4-difluorophenoxy)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride

C20H21ClF2N2O — CID 11530976

About 1-(cyclopropylmethyl)-7-[(2,4-difluorophenoxy)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride

1-(cyclopropylmethyl)-7-[(2,4-difluorophenoxy)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride (PubChem CID 11530976) has the molecular formula C20H21ClF2N2O and a molecular weight of 378.85 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-7-[(2,4-difluorophenoxy)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride.

Molecular Properties

• Compound Name: 1-(cyclopropylmethyl)-7-[(2,4-difluorophenoxy)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride
• PubChem CID: 11530976
• Molecular Formula: C20H21ClF2N2O
• Molecular Weight: 378.85 g/mol
• Exact Mass: 378.13
• IUPAC Name: 1-(cyclopropylmethyl)-7-[(2,4-difluorophenoxy)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride
• SMILES: Cc1c(C)n(CC2CC2)c2c(COc3ccc(F)cc3F)nccc12.Cl
• InChI: InChI=1S/C20H20F2N2O.ClH/c1-12-13(2)24(10-14-3-4-14)20-16(12)7-8-23-18(20)11-25-19-6-5-15(21)9-17(19)22;/h5-9,14H,3-4,10-11H2,1-2H3;1H
• InChIKey: UEZJTBSBPISOAU-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 27.05 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	378.85
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-7-[(2,4-difluorophenoxy)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride?

The IUPAC name of 1-(cyclopropylmethyl)-7-[(2,4-difluorophenoxy)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride (CID 11530976) is 1-(cyclopropylmethyl)-7-[(2,4-difluorophenoxy)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride.

What is the SMILES notation for 1-(cyclopropylmethyl)-7-[(2,4-difluorophenoxy)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride?

The canonical SMILES for 1-(cyclopropylmethyl)-7-[(2,4-difluorophenoxy)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride is Cc1c(C)n(CC2CC2)c2c(COc3ccc(F)cc3F)nccc12.Cl.

What is the InChIKey of 1-(cyclopropylmethyl)-7-[(2,4-difluorophenoxy)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride?

The InChIKey is UEZJTBSBPISOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O.ClH/c1-12-13(2)24(10-14-3-4-14)20-16(12)7-8-23-18(20)11-25-19-6-5-15(21)9-17(19)22;/h5-9,14H,3-4,10-11H2,1-2H3;1H.

What are the key properties of 1-(cyclopropylmethyl)-7-[(2,4-difluorophenoxy)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride?

1-(cyclopropylmethyl)-7-[(2,4-difluorophenoxy)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride has a molecular weight of 378.85 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclopropylmethyl)-7-[(2,4-difluorophenoxy)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride is sourced from PubChem (CID 11530976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).